trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium

C15H18N3S+ — CID 4880467

IUPACtrimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C15H18N3S/c1-18(2,3)11-13-14(12-7-5-4-6-8-12)16-15-17(13)9-10-19-15/h4-10H,11H2,1-3H3/q+1
InChIKeyVKXMDBNBTPJZBW-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.27
Rot. Bonds3

About trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium

trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium (PubChem CID 4880467) has the molecular formula C15H18N3S+ and a molecular weight of 272.40 g/mol. Its IUPAC name is trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
PubChem CID4880467
Molecular FormulaC15H18N3S+
Molecular Weight272.40 g/mol
Exact Mass272.12
IUPAC Nametrimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)nc2sccn12
InChIInChI=1S/C15H18N3S/c1-18(2,3)11-13-14(12-7-5-4-6-8-12)16-15-17(13)9-10-19-15/h4-10H,11H2,1-3H3/q+1
InChIKeyVKXMDBNBTPJZBW-UHFFFAOYSA-N
XLogP3.27
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
1-(2-methoxyphenyl)-N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 24593929
1-(2-chlorophenyl)-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 24594113
ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 10802132
6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 24594004
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
CID 89392602
CID 89392602
ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium?
The IUPAC name of trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium (CID 4880467) is trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium is C[N+](C)(C)Cc1c(-c2ccccc2)nc2sccn12.
What is the InChIKey of trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium?
The InChIKey is VKXMDBNBTPJZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3S/c1-18(2,3)11-13-14(12-7-5-4-6-8-12)16-15-17(13)9-10-19-15/h4-10H,11H2,1-3H3/q+1.
What are the key properties of trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium?
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium has a molecular weight of 272.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium is sourced from PubChem (CID 4880467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).